Andrey V Kajava,Alasdair C Steven
Andrey V Kajava
Beta-rolls and beta-helices belong to a larger group of topologically similar proteins with solenoid folds: because their regular secondary structure elements are exclusively beta-strands, they are referred to as beta-solenoids. The number ...
Cedric Dicko,John M Kenney,Fritz Vollrath
Cedric Dicko
It appears that fiber-forming proteins are not an exclusive group but that, with appropriate conditions, many proteins can potentially aggregate and form fibrils; though only certain proteins, for example, amyloids and silks, do so under no...
Andrey V Kajava,John M Squire,David A D Parry
Andrey V Kajava
The beta-form of protein folding, one of the earliest protein structures to be defined, was originally observed in studies of silks. It was then seen in early studies of synthetic polypeptides and, of course, is now known to be present in a...
The importance of cooperative interactions and a solid-state paradigm to proteins: what Peptide chemists can learn from molecular crystals [0.03%]
蛋白质中合作相互作用和固态范式的的重要性：多肽化学家能从分子晶体学到什么
J J Dannenberg
J J Dannenberg
Proteins and peptides in solution or in vivo share properties with both liquids and solids. More often than not, they are studied using the liquid paradigm rather than that of a solid. Studies of molecular crystals illustrate how the use of...
George I Makhatadze
George I Makhatadze
The alpha-helix was the first proposed and experimentally confirmed secondary structure. The elegant simplicity of the alpha-helical structure, stabilized by hydrogen bonding between the backbone carbonyl oxygen and the peptide amide four r...
Peptide and protein folding and conformational equilibria: theoretical treatment of electrostatics and hydrogen bonding with implicit solvent models [0.03%]
肽和蛋白质折叠及构象平衡：含隐式溶剂模型的电荷相互作用和氢键理论处理
Wonpil Im,Jianhan Chen,Charles L Brooks rd
Wonpil Im
Since biomolecules exist in aqueous and membrane environments, the accurate modeling of solvation, and hydrogen bonding interactions in particular, is essential for the exploration of structure and function in theoretical and computational ...
Stephen H White
Stephen H White
The energetic cost of partitioning peptide bonds into membrane bilayers is prohibitive unless the peptide bonds participate in hydrogen bonds. However, even then there is a significant free energy penalty for dehydrating the peptide bonds t...
Resonance Character of Hydrogen-bonding Interactions in Water and Other H-bonded Species [0.03%]
氢键体系中氢键相互作用的共振性质
F Weinhold
F Weinhold
Hydrogen bonding underlies the structure of water and all biochemical processes in aqueous medium. Analysis of modern ab initio wave functions in terms of natural bond orbitals (NBOs) strongly suggests the resonance-type "charge transfer" (...
Jan Hermans
Jan Hermans
This chapter reviews formulation and parametrization of molecular mechanics force fields with special attention to technical and inherent problems. Most striking among the shortcomings is the inadequacy of the simple point charge descriptio...
Modeling Polarization in Proteins and Protein-ligand Complexes: Methods and Preliminary Results [0.03%]
蛋白质和蛋白质-配体复合物的极化建模：方法与初步结果
Richard A Friesner
Richard A Friesner
This chapter discusses methods for modeling electronic polarization in proteins and protein-ligand complexes. Two different approaches are considered: explicit incorporation of polarization into a molecular mechanics force field and the use...